3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one

C7H9N3O2 — CID 82373309

IUPAC3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
SMILESCc1onc2c1NCC(=O)NC2
InChIInChI=1S/C7H9N3O2/c1-4-7-5(10-12-4)2-8-6(11)3-9-7/h9H,2-3H2,1H3,(H,8,11)
InChIKeyMBXRRXLYBDPSSJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.02
Rot. Bonds

About 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one

3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one (PubChem CID 82373309) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one.

Molecular Properties

Compound Name3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
PubChem CID82373309
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
SMILESCc1onc2c1NCC(=O)NC2
InChIInChI=1S/C7H9N3O2/c1-4-7-5(10-12-4)2-8-6(11)3-9-7/h9H,2-3H2,1H3,(H,8,11)
InChIKeyMBXRRXLYBDPSSJ-UHFFFAOYSA-N
XLogP0.02
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,5-trimethyl-7,8-dihydro-4H-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one
CID 82373307
aziridin-2-one
CID 158991665
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
CID 83668336
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-4-carboxylic acid
CID 82407983
2-(3,5-dimethyl-1,2-oxazol-4-yl)imidazolidin-4-one
CID 131203449
aziridin-2-one;formaldehyde
CID 19936529
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553
3,6-dimethyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,3-c]azepine
CID 82414122
7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 158568266
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
2-methyl-5,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-6-one
CID 130250914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The IUPAC name of 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one (CID 82373309) is 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one.
What is the SMILES notation for 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The canonical SMILES for 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one is Cc1onc2c1NCC(=O)NC2.
What is the InChIKey of 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
The InChIKey is MBXRRXLYBDPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-7-5(10-12-4)2-8-6(11)3-9-7/h9H,2-3H2,1H3,(H,8,11).
What are the key properties of 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one?
3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one has a molecular weight of 167.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,3-e][1,4]diazepin-6-one is sourced from PubChem (CID 82373309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).